Dataset

Imidacloprid

This MassBank record with Accession MSBNK-Waters-WA000027 contains the MS2 mass spectrum of Imidacloprid with the InChIkey YWTYJOPNNQFBPC-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
SMILES	O=N(=O)N=C(N2)N(CC2)Cc(c1)cnc(Cl)c1
InChI Key	YWTYJOPNNQFBPC-UHFFFAOYSA-N
Molecular Formula	C9H10ClN5O2
Exact Mass	255.052 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000027
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:47:48.532929
MetadataModified	2024-01-11T22:47:48.696165
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
86418	PubChem
PD004832	ProbesDrugs
imidacloprid	Atlas
14750006	PubChem: Thomson Pharma
138261-41-3	ACToR
105827-78-9	ACToR
3BN7M937V8	FDA SRS
HANFOS	CCDC
86287518	PubChem
MCULE-7224198077	Mcule
SCHEMBL22278	SureChEMBL
20209464	NMRShiftDB
ZINC000004474604	ZINC
50212288	BindingDB
DTXSID5032442	EPA CompTox Dashboard
HY-B0838	MedChemExpress
IMIDACLOPRID	rxnorm
CB6730574	ChemicalBook
135541675	PubChem
135527764	PubChem
HMDB0040292	Human Metabolome Database
DB11421	DrugBank
14017	Brenda
15122378	PubChem: Thomson Pharma
CHEMBL406819	ChEMBL
39168	ChEBI
5870	ChEBI
39169	ChEBI
IM4	PDBe
C11110	KEGG Ligand
26354155	eMolecules
2725230	eMolecules
501849	eMolecules
The data in this table is sourced from UniChem at EBI.